Structure Calculation Software Websites

analyzes 2D NMR NOESY data from oligonucleotides and proteins to evaluate cross-relaxation rates from which interproton distances are obtained

A program for predicting the magnitude and orientation of a sterically induced alignment tensor

A free Fortran suite of programs for structure refinement using direct NMR nOe restraints.

A protein structure validation server based on quantum mechanics computed chemical shifts.

Online calculation of proton-proton coupling constants from torsion angles or vice versa.

The site offers the possibility to submit NMR correlation data (COSY, HMBC, others) from small molecules (ea natural products) and returns a complete set of constitutions compatible with this data. It is free for non comercial use, but not for download.